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ScientificNameLabel
3-(3-Hydroxy-4-methyl-phenyl)-3,4,4-trimethyl-cyclopentanone
PHCD compound ID : 2127
Chemical Names :
3-(3-Hydroxy-4-methyl-phenyl)-3,4,4-trimethyl-cyclopentanone
Molecular Formula : C15H20O2
Molecular Weight : 232.14633
More Details :
Names & Synonyms: 3-(3-hydroxy-4-methyl-phenyl)-3,4,4-trimethyl-cyclopentanone , 3-(3-hydroxy-4-methylphenyl)-3,4,4-trimethyl-1-cyclopentanone , 3-(3-hydroxy-4-methylphenyl)-3,4,4-trimethylcyclopentan-1-one , 3,3,4-trimethyl-4-(4-methyl-3-oxidanyl-phenyl)cyclopentan-1-one
Smiles: O=C1CC([C@@](C1)(C)c1ccc(c(c1)O)C)(C)C
InChi : InChI=1S/C15H20O2/c1-10-5-6-11(7-13(10)17)15(4)9-12(16)8-14(15,2)3/h5-7,17H,8-9H2,1-4H3/t15-/m1/s1
InChi Key : InChIKey=CGCWULYHWIGEGL-OAHLLOKOSA-N
PubChem ID : 590725
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.102801
Hydrogen bond donor count : 1 Electric dipole moment : 4.149
XLogP : 2.317 VDW volume : 239.417929
Molecular weight : 232.14633 HOMO-LUMO gap : 9.160000
Herb list :
Refrences & Litretures:
  
252.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'39'      Page:'177'      DOI:'10.1016/j.indcrop.2012.02.030'      Title:'Rhizome and root yield of the cultivated Arnica montana L., chemical composition and histochemical localization of essential oil'
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